Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)[N+]1=C(NN=C1SCC(=O)NNC=C1C=CC(=O)C=C1[O-])C1=CC=C(C=C1)C(C)(C)C

InChIKey

InChIKey=YSOPSUQXTLRAGY-UHFFFAOYSA-N

Formula

C28H29N5O4S

Mass

531.63

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Triazoles

Intermediate Tree Nodes

Phenyltriazoles

Direct Parent

Phenyl-1,2,4-triazoles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenyl-1,2,4-triazole - Methoxyaniline - Phenylpropane - Phenoxy compound - Aryl thioether - Anisole - P-quinomethane - Phenol ether - Methoxybenzene - Quinomethane - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous acid - Carboxylic acid hydrazide - Ketone - Cyclic ketone - Azacycle - Ether - Carboxylic acid derivative - Thioether - Sulfenyl compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.

External Descriptors

Not available

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